N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide

C21H30N2O4 — CID 134700000

IUPACN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-22-13-16-11-17(10-15(16)12-21(22)25)23(2)20(24)8-6-14-5-7-18(26-3)19(9-14)27-4/h5,7,9,15-17H,6,8,10-13H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyLSVUANJMDNXPON-IXDOHACOSA-N
MW374.48 g/mol
LogP2.35
Rot. Bonds6

About N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 134700000) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
PubChem CID134700000
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-22-13-16-11-17(10-15(16)12-21(22)25)23(2)20(24)8-6-14-5-7-18(26-3)19(9-14)27-4/h5,7,9,15-17H,6,8,10-13H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyLSVUANJMDNXPON-IXDOHACOSA-N
XLogP2.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide with MolForge

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Related Compounds

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 134713771
(4aS,6S,7aS)-6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 162634250
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(2-aminoethoxy)-5-chloro-N-methylbenzamide
CID 162627291
3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
CID 52989903
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-propoxybenzamide
CID 162632505
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 25387610
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-bis(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55348796
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide (CID 134700000) is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1OC.
What is the InChIKey of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is LSVUANJMDNXPON-IXDOHACOSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-22-13-16-11-17(10-15(16)12-21(22)25)23(2)20(24)8-6-14-5-7-18(26-3)19(9-14)27-4/h5,7,9,15-17H,6,8,10-13H2,1-4H3/t15-,16+,17-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide?
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 374.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 134700000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).